N,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide

C3H2F7NO2S — CID 90745791

IUPACN,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide
SMILESO=S(=O)(NF)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C3H2F7NO2S/c4-1(5)2(6,7)3(8,9)14(12,13)11-10/h1,11H
InChIKeyVPZVCZKYXZDMOZ-UHFFFAOYSA-N
MW249.11 g/mol
LogP1.28
Rot. Bonds4

About N,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide

N,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide (PubChem CID 90745791) has the molecular formula C3H2F7NO2S and a molecular weight of 249.11 g/mol. Its IUPAC name is N,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide
PubChem CID90745791
Molecular FormulaC3H2F7NO2S
Molecular Weight249.11 g/mol
Exact Mass248.97
IUPAC NameN,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide
SMILESO=S(=O)(NF)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C3H2F7NO2S/c4-1(5)2(6,7)3(8,9)14(12,13)11-10/h1,11H
InChIKeyVPZVCZKYXZDMOZ-UHFFFAOYSA-N
XLogP1.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
CID 162553244
CID 172837284
CID 172837284
N-benzyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
CID 126638199
1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)azepane
CID 126638181
1,1,1,2,2,3,3-heptafluoropropane;methane
CID 158693034
1,1,1,2,2,3,3-heptafluoropropane;hydrobromide
CID 175862099
1,1,1,2,2,3,3-heptafluoropropane;hydrochloride
CID 158268992
1,2,2,3,3,4,4-heptafluorobutane-1-sulfonyl fluoride
CID 58741044
lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
CID 173034743
potassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid
CID 173464040
4,4,4-trifluoro-1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)butan-2-one
CID 167685766
N,1,1,3,3,3-hexafluoropropane-1-sulfonamide
CID 87542493

Frequently Asked Questions

What is the IUPAC name of N,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide?
The IUPAC name of N,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide (CID 90745791) is N,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide.
What is the SMILES notation for N,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide?
The canonical SMILES for N,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide is O=S(=O)(NF)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide?
The InChIKey is VPZVCZKYXZDMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F7NO2S/c4-1(5)2(6,7)3(8,9)14(12,13)11-10/h1,11H.
What are the key properties of N,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide?
N,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide has a molecular weight of 249.11 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide is sourced from PubChem (CID 90745791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).